(5R)-5-(2,4-dimethoxyphenyl)spiro[5,6-dihydro-1H-pyrano[4,3-a][4,7]phenanthroline-2,1'-cyclooctane]-4-one

Formula:C30H32N2O4 Mutagenic:low Tumorigenic:none Reproductive Effective:none (5R)-5-(2,4-dimethoxyphenyl)spiro[5,6-dihydro-1H-pyrano[4,3-a][4,7]phenanthroline-2,1'-cyclooctane]-4-one is not a drug-like molecule.

MolName	(5R)-5-(2,4-dimethoxyphenyl)spiro[5,6-dihydro-1H-pyrano[4,3-a][4,7]phenanthroline-2,1'-cyclooctane]-4-one
MolecularFormula	C30H32N2O4
Smiles	COc1cc(OC)c([C@H](C2=C3CC4(CCCCCCC4)OC2=O)Nc2c3c3cccnc3cc2)cc1
InChI	InChI=1S/C30H32N2O4/c1-34-19-10-11-21(25(17-19)35-2)28-27-22(18-30(36-29(27)33)14-6-4-3-5-7-15-30)26-20-9-8-16-31-23(20)12-13-24(26)32-28/h8-13,16-17,28,32H,3-7,14-15,18H2,1-2H3/t28-/m1/s1
InChIK	DAQWXHBPCMSDGW-MUUNZHRXSA-N
TotalMolweight	484.594
Molweight	484.594
MonoisotopicMass	484.236208
CLogP	5.2108
CLogS	-5.761
H Acceptors	6
H Donors	1
TotalSurfaceArea	365.52
Relative PSA	0.17911
PolarSurfaceArea	69.68
Druglikeness	-3.8844
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41667
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	3
Rings Closures	6
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	15
Symmetricatoms	3
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon	this enantiomer

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1 - (5R)-5-(2,4-dimethoxyphenyl)spiro[5,6-dihydro-1H-pyrano[4,3-a][4,7]phenanthroline-2,1'-cyclooctane]-4-one | 2 - (5R)-5-(2,4-dimethoxyphenyl)spiro[5,6-dihydro-1H-pyrano[4,3-a][4,7]phenanthroline-2,1'-cyclooctane]-4-one

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